SCHEMBL4838484

SCHEMBL4838484

Cc1ccc(S(=O)(=O)O)c(-c2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
TSHR P16473 3/20 0.49
CYP3A4 P08684 1/20 0.49
TDP1 Q9NUW8 2/20 0.43
HPRT1 P00492 1/20 0.39
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
THRB P10828 3/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CRHBP P24387 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10526024 0.88 ALDH1A1 (0.42) ALDH1A1TSHRCYP3A4TDP1HPRT1
SCHEMBL22444090 0.79 MYC (0.40) ALDH1A1TSHRCYP3A4TDP1CA1
SCHEMBL6535739 0.79 ALDH1A1 (0.48) ALDH1A1TSHRCYP3A4TDP1KMT2A
SCHEMBL31169503 0.79 ALDH1A1 (0.48) ALDH1A1TSHRCYP3A4TDP1KMT2A
SCHEMBL2516100 0.78 MYC (0.39) ALDH1A1TSHRTDP1KMT2ASMN1; SMN2
SCHEMBL11235145 0.78 ALDH1A1 (0.47) ALDH1A1TSHRCYP3A4TDP1KMT2A
SCHEMBL28736762 0.78 MYC (0.39) ALDH1A1TSHRCYP3A4TDP1KMT2A
Iodide SCHEMBL28419660 0.78 MYC (0.39) ALDH1A1TSHRCYP3A4TDP1CA1
SCHEMBL28267591 0.78 CA1 (0.43) ALDH1A1TSHRCYP3A4TDP1CA1
SCHEMBL27446019 0.77 HPRT1 (0.49) ALDH1A1TSHRCYP3A4TDP1HPRT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7375095-B2 Sugar derivative KABASHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU (JP) 2008-05-20 US disclosed
US-20040254367-A1 Sugar derivative KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENYUJO (JP) 2004-12-16 US disclosed
EP-1460081-A1 SUGAR DERIVATIVE Kabushiki Kaisha Hayashibara Seibutsu Kagaku Kenkyujo (JP) 2004-09-22 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040254367-A1 Sugar derivative FUT5, FUT6, MAN1B1 ALDH1A1 333/4885TSHR 2164/4885CYP3A4 1861/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.